SCHEMBL1227482

SCHEMBL1227482

CNc1nc(Nc2ccc(F)cc2)nc2c1CCC2c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.56
PSEN2 P49810 4/20 0.56
APH1B Q8WW43 4/20 0.56
NCSTN Q92542 4/20 0.56
APH1A Q96BI3 4/20 0.56
PSENEN Q9NZ42 4/20 0.56
CYP3A4 P08684 2/20 0.56
UGT1A1 P22309 2/20 0.56
KCNH2 Q12809 2/20 0.56
SLCO1B1 Q9Y6L6 2/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MERTK Q12866 3/20 0.45
KCNH3 Q9ULD8 8/20 0.43
NPY5R Q15761 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1227054 0.90 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL513790 0.90 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1226493 0.88 UGT1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1225891 0.87 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1226366 0.87 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27875635 0.86 UGT1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512775 0.86 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1226813 0.86 UGT1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1227070 0.85 KCNH2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL512961 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US claimed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP claimed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US claimed
US-8486952-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-16 US claimed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US claimed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP claimed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US claimed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO claimed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PSEN1 7/4885PSEN2 6/4885APH1B 14/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PSEN1 7/4885PSEN2 6/4885APH1B 14/4885
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PSEN1 7/4885PSEN2 6/4885APH1B 14/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP PSEN1 7/4885PSEN2 6/4885APH1B 14/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.